SCHEMBL4987201

SCHEMBL4987201

NC(=O)c1cccc(COC[CH]c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.43
F10 P00742 1/20 0.43
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 2/20 0.42
PLA2G10 O15496 2/20 0.41
MAOB P27338 2/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8717218 0.81 PARP1 (0.47) F10PARP1PLA2G10MAOBKDM1A
SCHEMBL6802864 0.78 PARP1 (0.42) MRGPRX4PARP1PARP10MAOBALDH1A1
SCHEMBL7859593 0.77 TSHR (0.58) MAOBMAOAALDH1A1POLBTSHR
SCHEMBL14283958 0.76 PARP1 (0.50) MRGPRX4PARP1PARP10MAOBALDH1A1
SCHEMBL19980221 0.75 F10 (0.72) MRGPRX4F10PARP10MAOB
SCHEMBL4981766 0.72 KDM4E (0.42) PARP1ALDH1A1MAPTTSHRHSD17B10
SCHEMBL2824632 0.72 PARP1 (0.56) MRGPRX4PARP1PARP10MAOBALDH1A1
SCHEMBL3239537 0.72 PARP10 (0.59) MRGPRX4F10PARP10MAOBALDH1A1
SCHEMBL4224616 0.72 PLA2G2A (0.69) PARP1PLA2G10MAOBKDM1AMAOA
SCHEMBL10189495 0.72 PARP1 (0.56) PARP1PLA2G10MAOBKDM1AMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 MRGPRX4 274/4885F10 1404/4885PARP1 4002/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 MRGPRX4 274/4885F10 1404/4885PARP1 4002/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.